USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 262 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -144:sc= -0.223 (180deg=-1.22!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.988 K(o=-0.99,f=-2.8!) USER MOD Single : A 4 THR OG1 : rot 174:sc= -2.69! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 94:sc= 1.14 USER MOD Single : A 10 GLN : amide:sc= -0.703 K(o=-0.7,f=-0.00056) USER MOD Single : A 14 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1.5!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -94:sc= -0.679 USER MOD Single : A 21 ASN : amide:sc= -2.37! C(o=-2.4!,f=-6.2!) USER MOD Single : A 22 ASN : amide:sc= -0.0965 K(o=-0.096,f=-2.3!) USER MOD Single : A 28 SER OG : rot 73:sc= 0.0476 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -20:sc= 0.45 USER MOD Single : A 31 ASN : amide:sc= -4.31! C(o=-4.3!,f=-1.9!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.11) USER MOD Single : A 36 THR OG1 : rot 5:sc= 0.71! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.796 -16.860 -5.261 1.00 0.00 N ATOM 2 CA LYS A 1 -13.425 -17.973 -4.491 1.00 0.00 C ATOM 3 C LYS A 1 -12.667 -19.282 -4.730 1.00 0.00 C ATOM 4 O LYS A 1 -12.781 -19.891 -5.774 1.00 0.00 O ATOM 5 CB LYS A 1 -14.850 -18.079 -5.036 1.00 0.00 C ATOM 6 CG LYS A 1 -15.649 -16.838 -4.639 1.00 0.00 C ATOM 7 CD LYS A 1 -16.172 -17.005 -3.212 1.00 0.00 C ATOM 8 CE LYS A 1 -15.509 -15.968 -2.303 1.00 0.00 C ATOM 9 NZ LYS A 1 -15.552 -16.568 -0.941 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.850 -15.981 -4.708 1.00 0.00 H new ATOM 0 H2 LYS A 1 -11.799 -17.089 -5.451 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.300 -16.733 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.409 -17.787 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.828 -18.177 -6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.333 -18.974 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.020 -15.950 -4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.481 -16.692 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.255 -16.882 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.959 -18.011 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.484 -15.768 -2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.042 -15.018 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -15.115 -15.915 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -16.541 -16.741 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -15.030 -17.468 -0.941 1.00 0.00 H new ATOM 25 N CYS A 2 -11.894 -19.722 -3.772 1.00 0.00 N ATOM 26 CA CYS A 2 -11.138 -20.994 -3.957 1.00 0.00 C ATOM 27 C CYS A 2 -11.755 -22.112 -3.103 1.00 0.00 C ATOM 28 O CYS A 2 -12.649 -22.806 -3.541 1.00 0.00 O ATOM 29 CB CYS A 2 -9.706 -20.688 -3.500 1.00 0.00 C ATOM 30 SG CYS A 2 -8.621 -20.588 -4.944 1.00 0.00 S ATOM 0 H CYS A 2 -11.754 -19.258 -2.874 1.00 0.00 H new ATOM 0 HA CYS A 2 -11.164 -21.337 -4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -9.682 -19.748 -2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.355 -21.466 -2.821 1.00 0.00 H new ATOM 35 N ASN A 3 -11.278 -22.289 -1.893 1.00 0.00 N ATOM 36 CA ASN A 3 -11.811 -23.360 -0.997 1.00 0.00 C ATOM 37 C ASN A 3 -10.761 -23.629 0.075 1.00 0.00 C ATOM 38 O ASN A 3 -11.059 -24.044 1.178 1.00 0.00 O ATOM 39 CB ASN A 3 -11.999 -24.602 -1.881 1.00 0.00 C ATOM 40 CG ASN A 3 -12.000 -25.864 -1.014 1.00 0.00 C ATOM 41 OD1 ASN A 3 -10.980 -26.248 -0.477 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.111 -26.530 -0.857 1.00 0.00 N ATOM 0 H ASN A 3 -10.531 -21.727 -1.485 1.00 0.00 H new ATOM 0 HA ASN A 3 -12.751 -23.087 -0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -12.937 -24.528 -2.432 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -11.199 -24.658 -2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.123 -27.373 -0.283 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.967 -26.207 -1.308 1.00 0.00 H new ATOM 49 N THR A 4 -9.527 -23.378 -0.259 1.00 0.00 N ATOM 50 CA THR A 4 -8.428 -23.595 0.706 1.00 0.00 C ATOM 51 C THR A 4 -7.958 -22.261 1.267 1.00 0.00 C ATOM 52 O THR A 4 -7.455 -21.416 0.561 1.00 0.00 O ATOM 53 CB THR A 4 -7.323 -24.285 -0.098 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.144 -24.357 0.688 1.00 0.00 O ATOM 55 CG2 THR A 4 -7.043 -23.500 -1.381 1.00 0.00 C ATOM 0 H THR A 4 -9.235 -23.028 -1.171 1.00 0.00 H new ATOM 0 HA THR A 4 -8.732 -24.200 1.560 1.00 0.00 H new ATOM 0 HB THR A 4 -7.645 -25.292 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.466 -24.883 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.256 -23.997 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.950 -23.453 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.724 -22.489 -1.127 1.00 0.00 H new ATOM 63 N ALA A 5 -8.128 -22.071 2.542 1.00 0.00 N ATOM 64 CA ALA A 5 -7.696 -20.797 3.181 1.00 0.00 C ATOM 65 C ALA A 5 -6.358 -20.344 2.589 1.00 0.00 C ATOM 66 O ALA A 5 -6.049 -19.169 2.563 1.00 0.00 O ATOM 67 CB ALA A 5 -7.543 -21.130 4.666 1.00 0.00 C ATOM 0 H ALA A 5 -8.551 -22.749 3.176 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.408 -19.987 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.226 -20.239 5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.498 -21.474 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.796 -21.914 4.788 1.00 0.00 H new ATOM 73 N THR A 6 -5.571 -21.261 2.089 1.00 0.00 N ATOM 74 CA THR A 6 -4.272 -20.861 1.476 1.00 0.00 C ATOM 75 C THR A 6 -4.573 -20.005 0.247 1.00 0.00 C ATOM 76 O THR A 6 -3.935 -19.001 -0.003 1.00 0.00 O ATOM 77 CB THR A 6 -3.572 -22.177 1.096 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.171 -21.954 1.006 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.092 -22.689 -0.250 1.00 0.00 C ATOM 0 H THR A 6 -5.770 -22.261 2.079 1.00 0.00 H new ATOM 0 HA THR A 6 -3.636 -20.276 2.140 1.00 0.00 H new ATOM 0 HB THR A 6 -3.782 -22.924 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.721 -22.791 0.766 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.587 -23.621 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.166 -22.865 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.894 -21.946 -1.023 1.00 0.00 H new ATOM 87 N CYS A 7 -5.579 -20.382 -0.495 1.00 0.00 N ATOM 88 CA CYS A 7 -5.980 -19.587 -1.682 1.00 0.00 C ATOM 89 C CYS A 7 -7.005 -18.549 -1.232 1.00 0.00 C ATOM 90 O CYS A 7 -7.058 -17.445 -1.736 1.00 0.00 O ATOM 91 CB CYS A 7 -6.611 -20.587 -2.652 1.00 0.00 C ATOM 92 SG CYS A 7 -6.919 -19.759 -4.236 1.00 0.00 S ATOM 0 H CYS A 7 -6.143 -21.215 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.147 -19.065 -2.153 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.949 -21.441 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.544 -20.973 -2.241 1.00 0.00 H new ATOM 97 N ALA A 8 -7.801 -18.897 -0.254 1.00 0.00 N ATOM 98 CA ALA A 8 -8.805 -17.934 0.271 1.00 0.00 C ATOM 99 C ALA A 8 -8.060 -16.785 0.934 1.00 0.00 C ATOM 100 O ALA A 8 -8.300 -15.632 0.652 1.00 0.00 O ATOM 101 CB ALA A 8 -9.624 -18.718 1.298 1.00 0.00 C ATOM 0 H ALA A 8 -7.796 -19.809 0.202 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.451 -17.519 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.386 -18.068 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.103 -19.567 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.966 -19.079 2.089 1.00 0.00 H new ATOM 107 N THR A 9 -7.125 -17.093 1.787 1.00 0.00 N ATOM 108 CA THR A 9 -6.335 -16.014 2.427 1.00 0.00 C ATOM 109 C THR A 9 -5.635 -15.229 1.322 1.00 0.00 C ATOM 110 O THR A 9 -5.543 -14.017 1.360 1.00 0.00 O ATOM 111 CB THR A 9 -5.317 -16.731 3.317 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.997 -17.407 4.366 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.346 -15.709 3.909 1.00 0.00 C ATOM 0 H THR A 9 -6.876 -18.042 2.066 1.00 0.00 H new ATOM 0 HA THR A 9 -6.937 -15.319 3.012 1.00 0.00 H new ATOM 0 HB THR A 9 -4.760 -17.455 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.173 -18.333 4.098 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.621 -16.220 4.543 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.824 -15.194 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.900 -14.983 4.504 1.00 0.00 H new ATOM 121 N GLN A 10 -5.155 -15.921 0.318 1.00 0.00 N ATOM 122 CA GLN A 10 -4.480 -15.229 -0.808 1.00 0.00 C ATOM 123 C GLN A 10 -5.529 -14.548 -1.693 1.00 0.00 C ATOM 124 O GLN A 10 -5.244 -13.609 -2.415 1.00 0.00 O ATOM 125 CB GLN A 10 -3.755 -16.331 -1.581 1.00 0.00 C ATOM 126 CG GLN A 10 -2.244 -16.179 -1.393 1.00 0.00 C ATOM 127 CD GLN A 10 -1.559 -17.526 -1.631 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.464 -17.756 -1.157 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.160 -18.431 -2.353 1.00 0.00 N ATOM 0 H GLN A 10 -5.205 -16.936 0.235 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.788 -14.457 -0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.079 -17.310 -1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.008 -16.274 -2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.854 -15.434 -2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.027 -15.822 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.079 -18.238 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.711 -19.331 -2.520 1.00 0.00 H new ATOM 138 N ARG A 11 -6.756 -14.984 -1.599 1.00 0.00 N ATOM 139 CA ARG A 11 -7.835 -14.341 -2.393 1.00 0.00 C ATOM 140 C ARG A 11 -8.284 -13.159 -1.573 1.00 0.00 C ATOM 141 O ARG A 11 -8.465 -12.057 -2.049 1.00 0.00 O ATOM 142 CB ARG A 11 -8.942 -15.392 -2.510 1.00 0.00 C ATOM 143 CG ARG A 11 -8.820 -16.115 -3.851 1.00 0.00 C ATOM 144 CD ARG A 11 -9.260 -15.177 -4.976 1.00 0.00 C ATOM 145 NE ARG A 11 -8.065 -15.052 -5.857 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.886 -15.893 -6.838 1.00 0.00 C ATOM 147 NH1 ARG A 11 -8.864 -16.149 -7.665 1.00 0.00 N ATOM 148 NH2 ARG A 11 -6.730 -16.479 -6.994 1.00 0.00 N ATOM 0 H ARG A 11 -7.055 -15.758 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.542 -14.008 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.867 -16.107 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.919 -14.916 -2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.791 -16.435 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.437 -17.014 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.112 -15.585 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.566 -14.207 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.386 -14.308 -5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.767 -15.691 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.724 -16.807 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.966 -16.279 -6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.591 -17.136 -7.761 1.00 0.00 H new ATOM 162 N LEU A 12 -8.388 -13.401 -0.307 1.00 0.00 N ATOM 163 CA LEU A 12 -8.740 -12.339 0.644 1.00 0.00 C ATOM 164 C LEU A 12 -7.683 -11.241 0.537 1.00 0.00 C ATOM 165 O LEU A 12 -7.955 -10.073 0.727 1.00 0.00 O ATOM 166 CB LEU A 12 -8.672 -13.048 1.990 1.00 0.00 C ATOM 167 CG LEU A 12 -10.056 -13.585 2.359 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.938 -15.042 2.813 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.640 -12.744 3.496 1.00 0.00 C ATOM 0 H LEU A 12 -8.239 -14.317 0.115 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.711 -11.871 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.954 -13.867 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.322 -12.358 2.758 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.710 -13.529 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.925 -15.422 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.521 -15.642 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.284 -15.100 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.626 -13.125 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.984 -12.801 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.726 -11.706 3.174 1.00 0.00 H new ATOM 181 N ALA A 13 -6.477 -11.624 0.205 1.00 0.00 N ATOM 182 CA ALA A 13 -5.386 -10.625 0.049 1.00 0.00 C ATOM 183 C ALA A 13 -5.692 -9.755 -1.168 1.00 0.00 C ATOM 184 O ALA A 13 -5.432 -8.568 -1.193 1.00 0.00 O ATOM 185 CB ALA A 13 -4.118 -11.448 -0.183 1.00 0.00 C ATOM 0 H ALA A 13 -6.203 -12.592 0.035 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.279 -9.970 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.267 -10.778 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.945 -12.099 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.237 -12.054 -1.081 1.00 0.00 H new ATOM 191 N ASN A 14 -6.271 -10.346 -2.171 1.00 0.00 N ATOM 192 CA ASN A 14 -6.636 -9.577 -3.387 1.00 0.00 C ATOM 193 C ASN A 14 -7.573 -8.446 -2.977 1.00 0.00 C ATOM 194 O ASN A 14 -7.403 -7.307 -3.363 1.00 0.00 O ATOM 195 CB ASN A 14 -7.359 -10.582 -4.281 1.00 0.00 C ATOM 196 CG ASN A 14 -7.337 -10.092 -5.728 1.00 0.00 C ATOM 197 OD1 ASN A 14 -7.108 -8.927 -5.985 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.568 -10.940 -6.692 1.00 0.00 N ATOM 0 H ASN A 14 -6.509 -11.337 -2.200 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.780 -9.135 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.879 -11.558 -4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.388 -10.708 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.556 -10.625 -7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.760 -11.918 -6.476 1.00 0.00 H new ATOM 205 N PHE A 15 -8.545 -8.755 -2.162 1.00 0.00 N ATOM 206 CA PHE A 15 -9.477 -7.702 -1.685 1.00 0.00 C ATOM 207 C PHE A 15 -8.709 -6.804 -0.728 1.00 0.00 C ATOM 208 O PHE A 15 -9.077 -5.675 -0.483 1.00 0.00 O ATOM 209 CB PHE A 15 -10.611 -8.427 -0.949 1.00 0.00 C ATOM 210 CG PHE A 15 -10.939 -9.722 -1.652 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.840 -9.802 -3.046 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.330 -10.841 -0.911 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.133 -11.004 -3.699 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.626 -12.042 -1.563 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.527 -12.125 -2.957 1.00 0.00 C ATOM 0 H PHE A 15 -8.731 -9.693 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.881 -7.095 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.317 -8.627 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.495 -7.791 -0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.538 -8.937 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.403 -10.778 0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.056 -11.068 -4.774 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.931 -12.906 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.754 -13.053 -3.460 1.00 0.00 H new ATOM 225 N LEU A 16 -7.619 -7.292 -0.199 1.00 0.00 N ATOM 226 CA LEU A 16 -6.818 -6.442 0.717 1.00 0.00 C ATOM 227 C LEU A 16 -6.425 -5.179 -0.042 1.00 0.00 C ATOM 228 O LEU A 16 -6.319 -4.109 0.519 1.00 0.00 O ATOM 229 CB LEU A 16 -5.587 -7.274 1.070 1.00 0.00 C ATOM 230 CG LEU A 16 -5.302 -7.171 2.569 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.233 -8.121 3.325 1.00 0.00 C ATOM 232 CD2 LEU A 16 -3.846 -7.566 2.835 1.00 0.00 C ATOM 0 H LEU A 16 -7.255 -8.231 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.353 -6.147 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.749 -8.316 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.725 -6.923 0.502 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.470 -6.148 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.034 -8.051 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.270 -7.846 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.060 -9.144 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.639 -7.494 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.680 -8.590 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.182 -6.895 2.290 1.00 0.00 H new ATOM 244 N VAL A 17 -6.229 -5.304 -1.330 1.00 0.00 N ATOM 245 CA VAL A 17 -5.863 -4.115 -2.152 1.00 0.00 C ATOM 246 C VAL A 17 -7.135 -3.432 -2.667 1.00 0.00 C ATOM 247 O VAL A 17 -7.280 -2.227 -2.591 1.00 0.00 O ATOM 248 CB VAL A 17 -5.037 -4.664 -3.319 1.00 0.00 C ATOM 249 CG1 VAL A 17 -4.247 -3.523 -3.962 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.061 -5.727 -2.806 1.00 0.00 C ATOM 0 H VAL A 17 -6.307 -6.180 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.304 -3.374 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.706 -5.111 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.658 -3.911 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.938 -2.764 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.581 -3.079 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.475 -6.115 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.393 -5.282 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.620 -6.541 -2.345 1.00 0.00 H new ATOM 260 N HIS A 18 -8.066 -4.196 -3.183 1.00 0.00 N ATOM 261 CA HIS A 18 -9.335 -3.594 -3.693 1.00 0.00 C ATOM 262 C HIS A 18 -10.170 -3.075 -2.522 1.00 0.00 C ATOM 263 O HIS A 18 -10.658 -1.963 -2.536 1.00 0.00 O ATOM 264 CB HIS A 18 -10.061 -4.741 -4.397 1.00 0.00 C ATOM 265 CG HIS A 18 -9.604 -4.818 -5.827 1.00 0.00 C ATOM 266 ND1 HIS A 18 -10.468 -4.571 -6.900 1.00 0.00 N ATOM 267 CD2 HIS A 18 -8.381 -5.110 -6.385 1.00 0.00 C ATOM 268 CE1 HIS A 18 -9.758 -4.719 -8.038 1.00 0.00 C ATOM 269 NE2 HIS A 18 -8.503 -5.041 -7.759 1.00 0.00 N ATOM 0 H HIS A 18 -8.001 -5.210 -3.273 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.157 -2.752 -4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.857 -5.683 -3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.139 -4.583 -4.356 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.480 -5.352 -5.842 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.156 -4.593 -9.034 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.760 -5.208 -8.438 1.00 0.00 H new ATOM 277 N SER A 19 -10.330 -3.870 -1.503 1.00 0.00 N ATOM 278 CA SER A 19 -11.119 -3.419 -0.327 1.00 0.00 C ATOM 279 C SER A 19 -10.408 -2.241 0.329 1.00 0.00 C ATOM 280 O SER A 19 -10.966 -1.174 0.478 1.00 0.00 O ATOM 281 CB SER A 19 -11.166 -4.622 0.616 1.00 0.00 C ATOM 282 OG SER A 19 -12.278 -4.484 1.493 1.00 0.00 O ATOM 0 H SER A 19 -9.948 -4.813 -1.434 1.00 0.00 H new ATOM 0 HA SER A 19 -12.123 -3.089 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.251 -5.545 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.241 -4.687 1.189 1.00 0.00 H new ATOM 0 HG SER A 19 -12.314 -5.253 2.099 1.00 0.00 H new ATOM 288 N SER A 20 -9.172 -2.416 0.706 1.00 0.00 N ATOM 289 CA SER A 20 -8.432 -1.287 1.332 1.00 0.00 C ATOM 290 C SER A 20 -8.650 -0.027 0.502 1.00 0.00 C ATOM 291 O SER A 20 -8.763 1.064 1.025 1.00 0.00 O ATOM 292 CB SER A 20 -6.963 -1.694 1.307 1.00 0.00 C ATOM 293 OG SER A 20 -6.553 -1.884 -0.039 1.00 0.00 O ATOM 0 H SER A 20 -8.646 -3.285 0.609 1.00 0.00 H new ATOM 0 HA SER A 20 -8.767 -1.081 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.352 -0.925 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.818 -2.612 1.877 1.00 0.00 H new ATOM 0 HG SER A 20 -6.637 -2.831 -0.276 1.00 0.00 H new ATOM 299 N ASN A 21 -8.727 -0.173 -0.792 1.00 0.00 N ATOM 300 CA ASN A 21 -8.960 1.016 -1.651 1.00 0.00 C ATOM 301 C ASN A 21 -10.159 1.782 -1.089 1.00 0.00 C ATOM 302 O ASN A 21 -10.279 2.985 -1.246 1.00 0.00 O ATOM 303 CB ASN A 21 -9.217 0.446 -3.061 1.00 0.00 C ATOM 304 CG ASN A 21 -10.610 0.831 -3.576 1.00 0.00 C ATOM 305 OD1 ASN A 21 -11.600 0.607 -2.910 1.00 0.00 O ATOM 306 ND2 ASN A 21 -10.723 1.404 -4.742 1.00 0.00 N ATOM 0 H ASN A 21 -8.639 -1.060 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.127 1.718 -1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.458 0.818 -3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.123 -0.640 -3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.644 1.664 -5.095 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.891 1.592 -5.301 1.00 0.00 H new ATOM 313 N ASN A 22 -11.036 1.095 -0.406 1.00 0.00 N ATOM 314 CA ASN A 22 -12.200 1.795 0.187 1.00 0.00 C ATOM 315 C ASN A 22 -11.697 3.040 0.917 1.00 0.00 C ATOM 316 O ASN A 22 -12.410 4.011 1.075 1.00 0.00 O ATOM 317 CB ASN A 22 -12.813 0.796 1.167 1.00 0.00 C ATOM 318 CG ASN A 22 -13.799 -0.109 0.422 1.00 0.00 C ATOM 319 OD1 ASN A 22 -13.963 0.009 -0.776 1.00 0.00 O ATOM 320 ND2 ASN A 22 -14.470 -1.011 1.085 1.00 0.00 N ATOM 0 H ASN A 22 -10.994 0.090 -0.237 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.934 2.116 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.029 0.196 1.629 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.325 1.326 1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.131 -1.616 0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.333 -1.111 2.091 1.00 0.00 H new ATOM 327 N PHE A 23 -10.457 3.024 1.340 1.00 0.00 N ATOM 328 CA PHE A 23 -9.892 4.211 2.032 1.00 0.00 C ATOM 329 C PHE A 23 -10.033 5.411 1.110 1.00 0.00 C ATOM 330 O PHE A 23 -10.555 6.442 1.485 1.00 0.00 O ATOM 331 CB PHE A 23 -8.418 3.879 2.267 1.00 0.00 C ATOM 332 CG PHE A 23 -8.258 3.247 3.626 1.00 0.00 C ATOM 333 CD1 PHE A 23 -8.776 3.884 4.759 1.00 0.00 C ATOM 334 CD2 PHE A 23 -7.590 2.024 3.753 1.00 0.00 C ATOM 335 CE1 PHE A 23 -8.627 3.298 6.021 1.00 0.00 C ATOM 336 CE2 PHE A 23 -7.441 1.436 5.014 1.00 0.00 C ATOM 337 CZ PHE A 23 -7.960 2.074 6.149 1.00 0.00 C ATOM 0 H PHE A 23 -9.816 2.238 1.233 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.394 4.443 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.059 3.200 1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.815 4.785 2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.291 4.828 4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -7.189 1.534 2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.026 3.790 6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.927 0.492 5.113 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.845 1.621 7.123 1.00 0.00 H new ATOM 347 N GLY A 24 -9.601 5.270 -0.112 1.00 0.00 N ATOM 348 CA GLY A 24 -9.747 6.394 -1.069 1.00 0.00 C ATOM 349 C GLY A 24 -11.201 6.843 -1.021 1.00 0.00 C ATOM 350 O GLY A 24 -11.520 8.002 -1.199 1.00 0.00 O ATOM 0 H GLY A 24 -9.157 4.431 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.082 7.215 -0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.475 6.079 -2.076 1.00 0.00 H new ATOM 354 N ALA A 25 -12.087 5.919 -0.756 1.00 0.00 N ATOM 355 CA ALA A 25 -13.531 6.267 -0.666 1.00 0.00 C ATOM 356 C ALA A 25 -13.785 7.079 0.606 1.00 0.00 C ATOM 357 O ALA A 25 -14.726 7.842 0.691 1.00 0.00 O ATOM 358 CB ALA A 25 -14.261 4.925 -0.602 1.00 0.00 C ATOM 0 H ALA A 25 -11.869 4.935 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.870 6.869 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -15.335 5.098 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.042 4.349 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.927 4.370 0.275 1.00 0.00 H new ATOM 364 N ILE A 26 -12.937 6.932 1.590 1.00 0.00 N ATOM 365 CA ILE A 26 -13.107 7.708 2.849 1.00 0.00 C ATOM 366 C ILE A 26 -12.309 8.990 2.716 1.00 0.00 C ATOM 367 O ILE A 26 -12.784 10.071 2.997 1.00 0.00 O ATOM 368 CB ILE A 26 -12.560 6.803 3.952 1.00 0.00 C ATOM 369 CG1 ILE A 26 -13.060 5.372 3.714 1.00 0.00 C ATOM 370 CG2 ILE A 26 -13.052 7.297 5.314 1.00 0.00 C ATOM 371 CD1 ILE A 26 -14.517 5.406 3.232 1.00 0.00 C ATOM 0 H ILE A 26 -12.132 6.305 1.574 1.00 0.00 H new ATOM 0 HA ILE A 26 -14.138 7.985 3.068 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.470 6.822 3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -12.433 4.876 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.985 4.793 4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.661 6.650 6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.705 8.317 5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -14.142 7.276 5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.869 4.388 3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -15.139 5.885 3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.579 5.970 2.301 1.00 0.00 H new ATOM 383 N LEU A 27 -11.108 8.873 2.226 1.00 0.00 N ATOM 384 CA LEU A 27 -10.284 10.080 1.996 1.00 0.00 C ATOM 385 C LEU A 27 -11.167 11.117 1.305 1.00 0.00 C ATOM 386 O LEU A 27 -10.996 12.311 1.452 1.00 0.00 O ATOM 387 CB LEU A 27 -9.183 9.588 1.063 1.00 0.00 C ATOM 388 CG LEU A 27 -7.978 9.119 1.881 1.00 0.00 C ATOM 389 CD1 LEU A 27 -8.311 7.803 2.585 1.00 0.00 C ATOM 390 CD2 LEU A 27 -6.785 8.906 0.946 1.00 0.00 C ATOM 0 H LEU A 27 -10.664 7.989 1.976 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.874 10.536 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.556 8.770 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.884 10.388 0.385 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.732 9.874 2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.450 7.473 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.162 7.951 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.559 7.045 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.924 8.572 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.037 8.151 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.543 9.843 0.445 1.00 0.00 H new ATOM 402 N SER A 28 -12.130 10.641 0.567 1.00 0.00 N ATOM 403 CA SER A 28 -13.073 11.546 -0.138 1.00 0.00 C ATOM 404 C SER A 28 -13.644 12.565 0.849 1.00 0.00 C ATOM 405 O SER A 28 -13.600 13.758 0.628 1.00 0.00 O ATOM 406 CB SER A 28 -14.177 10.617 -0.643 1.00 0.00 C ATOM 407 OG SER A 28 -13.839 10.148 -1.942 1.00 0.00 O ATOM 0 H SER A 28 -12.304 9.647 0.422 1.00 0.00 H new ATOM 0 HA SER A 28 -12.603 12.108 -0.945 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.301 9.776 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.129 11.147 -0.671 1.00 0.00 H new ATOM 0 HG SER A 28 -13.118 9.488 -1.874 1.00 0.00 H new ATOM 413 N SER A 29 -14.178 12.095 1.943 1.00 0.00 N ATOM 414 CA SER A 29 -14.754 13.020 2.958 1.00 0.00 C ATOM 415 C SER A 29 -13.645 13.623 3.807 1.00 0.00 C ATOM 416 O SER A 29 -13.622 14.814 4.032 1.00 0.00 O ATOM 417 CB SER A 29 -15.673 12.148 3.813 1.00 0.00 C ATOM 418 OG SER A 29 -17.023 12.367 3.429 1.00 0.00 O ATOM 0 H SER A 29 -14.240 11.104 2.178 1.00 0.00 H new ATOM 0 HA SER A 29 -15.292 13.851 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.414 11.097 3.689 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.540 12.386 4.868 1.00 0.00 H new ATOM 0 HG SER A 29 -17.613 11.807 3.975 1.00 0.00 H new ATOM 424 N THR A 30 -12.727 12.811 4.285 1.00 0.00 N ATOM 425 CA THR A 30 -11.600 13.332 5.129 1.00 0.00 C ATOM 426 C THR A 30 -12.079 13.620 6.553 1.00 0.00 C ATOM 427 O THR A 30 -11.291 13.778 7.464 1.00 0.00 O ATOM 428 CB THR A 30 -11.136 14.603 4.410 1.00 0.00 C ATOM 429 OG1 THR A 30 -9.719 14.608 4.316 1.00 0.00 O ATOM 430 CG2 THR A 30 -11.610 15.870 5.136 1.00 0.00 C ATOM 0 H THR A 30 -12.711 11.804 4.125 1.00 0.00 H new ATOM 0 HA THR A 30 -10.786 12.615 5.237 1.00 0.00 H new ATOM 0 HB THR A 30 -11.576 14.604 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.345 13.999 4.986 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.261 16.751 4.596 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.699 15.879 5.180 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.206 15.882 6.148 1.00 0.00 H new ATOM 438 N ASN A 31 -13.363 13.680 6.750 1.00 0.00 N ATOM 439 CA ASN A 31 -13.891 13.945 8.113 1.00 0.00 C ATOM 440 C ASN A 31 -13.308 12.925 9.089 1.00 0.00 C ATOM 441 O ASN A 31 -13.379 13.091 10.291 1.00 0.00 O ATOM 442 CB ASN A 31 -15.415 13.775 8.004 1.00 0.00 C ATOM 443 CG ASN A 31 -15.986 13.434 9.383 1.00 0.00 C ATOM 444 OD1 ASN A 31 -16.680 14.232 9.983 1.00 0.00 O ATOM 445 ND2 ASN A 31 -15.718 12.270 9.914 1.00 0.00 N ATOM 0 H ASN A 31 -14.070 13.557 6.026 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.627 14.938 8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.869 14.691 7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.654 12.984 7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.091 12.030 10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.136 11.601 9.410 1.00 0.00 H new ATOM 452 N VAL A 32 -12.734 11.865 8.586 1.00 0.00 N ATOM 453 CA VAL A 32 -12.153 10.836 9.497 1.00 0.00 C ATOM 454 C VAL A 32 -11.255 11.509 10.538 1.00 0.00 C ATOM 455 O VAL A 32 -10.929 10.938 11.560 1.00 0.00 O ATOM 456 CB VAL A 32 -11.333 9.919 8.591 1.00 0.00 C ATOM 457 CG1 VAL A 32 -10.076 10.654 8.123 1.00 0.00 C ATOM 458 CG2 VAL A 32 -10.931 8.662 9.368 1.00 0.00 C ATOM 0 H VAL A 32 -12.642 11.667 7.590 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.918 10.284 10.043 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.930 9.635 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.491 9.999 7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.362 11.549 7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.477 10.938 8.988 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.346 8.007 8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.334 8.945 10.235 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.827 8.138 9.701 1.00 0.00 H new ATOM 468 N GLY A 33 -10.859 12.722 10.279 1.00 0.00 N ATOM 469 CA GLY A 33 -9.982 13.453 11.239 1.00 0.00 C ATOM 470 C GLY A 33 -9.177 14.510 10.482 1.00 0.00 C ATOM 471 O GLY A 33 -8.009 14.722 10.742 1.00 0.00 O ATOM 0 H GLY A 33 -11.106 13.244 9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.586 13.925 12.014 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.310 12.756 11.739 1.00 0.00 H new ATOM 475 N SER A 34 -9.793 15.171 9.539 1.00 0.00 N ATOM 476 CA SER A 34 -9.066 16.211 8.757 1.00 0.00 C ATOM 477 C SER A 34 -7.710 15.667 8.300 1.00 0.00 C ATOM 478 O SER A 34 -6.722 16.373 8.271 1.00 0.00 O ATOM 479 CB SER A 34 -8.881 17.384 9.720 1.00 0.00 C ATOM 480 OG SER A 34 -9.173 18.599 9.040 1.00 0.00 O ATOM 0 H SER A 34 -10.769 15.035 9.277 1.00 0.00 H new ATOM 0 HA SER A 34 -9.609 16.510 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.538 17.269 10.582 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.859 17.402 10.098 1.00 0.00 H new ATOM 0 HG SER A 34 -9.057 19.354 9.654 1.00 0.00 H new ATOM 486 N ASN A 35 -7.659 14.412 7.941 1.00 0.00 N ATOM 487 CA ASN A 35 -6.372 13.813 7.483 1.00 0.00 C ATOM 488 C ASN A 35 -6.595 13.011 6.200 1.00 0.00 C ATOM 489 O ASN A 35 -7.637 13.089 5.581 1.00 0.00 O ATOM 490 CB ASN A 35 -5.935 12.889 8.620 1.00 0.00 C ATOM 491 CG ASN A 35 -4.757 13.515 9.366 1.00 0.00 C ATOM 492 OD1 ASN A 35 -4.753 13.573 10.580 1.00 0.00 O ATOM 493 ND2 ASN A 35 -3.749 13.989 8.687 1.00 0.00 N ATOM 0 H ASN A 35 -8.455 13.774 7.945 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.619 14.570 7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.765 12.722 9.306 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.650 11.915 8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.957 14.408 9.175 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.752 13.940 7.668 1.00 0.00 H new ATOM 500 N THR A 36 -5.624 12.240 5.798 1.00 0.00 N ATOM 501 CA THR A 36 -5.783 11.432 4.556 1.00 0.00 C ATOM 502 C THR A 36 -6.387 12.294 3.444 1.00 0.00 C ATOM 503 O THR A 36 -7.547 12.165 3.106 1.00 0.00 O ATOM 504 CB THR A 36 -6.740 10.302 4.939 1.00 0.00 C ATOM 505 OG1 THR A 36 -8.055 10.824 5.075 1.00 0.00 O ATOM 506 CG2 THR A 36 -6.296 9.683 6.266 1.00 0.00 C ATOM 0 H THR A 36 -4.728 12.134 6.274 1.00 0.00 H new ATOM 0 HA THR A 36 -4.832 11.051 4.184 1.00 0.00 H new ATOM 0 HB THR A 36 -6.730 9.537 4.162 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.060 11.769 4.816 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.978 8.878 6.538 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.287 9.284 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.306 10.446 7.045 1.00 0.00 H new ATOM 514 N TYR A 37 -5.609 13.174 2.876 1.00 0.00 N ATOM 515 CA TYR A 37 -6.138 14.045 1.790 1.00 0.00 C ATOM 516 C TYR A 37 -6.998 13.223 0.823 1.00 0.00 C ATOM 517 O TYR A 37 -6.774 12.029 0.732 1.00 0.00 O ATOM 518 CB TYR A 37 -4.894 14.595 1.085 1.00 0.00 C ATOM 519 CG TYR A 37 -4.297 13.531 0.193 1.00 0.00 C ATOM 520 CD1 TYR A 37 -3.899 12.303 0.733 1.00 0.00 C ATOM 521 CD2 TYR A 37 -4.142 13.776 -1.177 1.00 0.00 C ATOM 522 CE1 TYR A 37 -3.347 11.320 -0.097 1.00 0.00 C ATOM 523 CE2 TYR A 37 -3.589 12.794 -2.007 1.00 0.00 C ATOM 524 CZ TYR A 37 -3.192 11.566 -1.467 1.00 0.00 C ATOM 525 OH TYR A 37 -2.647 10.598 -2.285 1.00 0.00 O ATOM 526 OXT TYR A 37 -7.867 13.805 0.195 1.00 0.00 O ATOM 0 H TYR A 37 -4.630 13.327 3.117 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.774 14.845 2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.158 15.472 0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.160 14.918 1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.018 12.114 1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.450 14.724 -1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.041 10.372 0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.469 12.984 -3.063 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.612 10.930 -3.206 1.00 0.00 H new TER 536 TYR A 37